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Basic information
- Standard SMILES
COc1cccc2c1CCc1cc(Nc3ccccc3N)ccc1C2=O- InChIKey
BYHKKYDYZBJRRB-UHFFFAOYSA-N- Molecular formula
- C22H20N2O2
- Average molar mass
- 344.4 g/mol
- Monoisotopic mass
- 344.15247789
Names & identifiers
- Preferred name
- 8-(2-Aminophenylamino)-1-methoxy-10,11-dihydrodibenzo[a,d]cyclohepten-5-one
- IUPAC
- 6-(2-aminoanilino)-12-methoxytricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-one
Names & synonyms
CHEMBL2152971SCHEMBL2315119BYHKKYDYZBJRRB-UHFFFAOYSA-NBDBM503922008-(2-Aminophenylamino)-1-methoxy-10,11-dihydrodibenzo[a,d]cyclohepten-5-one
Database identifiers
- PubChem CID
- 45280641
- ChEMBL
CHEMBL2152971
Properties
Computed structural propertiesFilling in
- XLogP
- 4.5
- Topological polar surface area
- 64.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 497
Related reactions
1 records
Compound notes
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